1-Butoxy-3-trityloxy-propan-2-ol | 106881-91-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-Butoxy-3-trityloxy-propan-2-ol
• CAS: 106881-91-8
• 化学式: C₂₆H₃₀O₃
• 分子量: 390.522
• InChiKey: IJKNTYNKUAAMPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.17
• 重原子数：
  29.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-Butoxy-3-trityloxy-propan-2-ol 在 palladium on activated charcoal 硼酸三乙酯 、 水 、 氢气 、 硼酸 、 sodium hydride 、 三乙胺 作用下， 以 乙醇 、 氯仿 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 25.0~50.0 ℃ 、137.9 kPa 条件下， 反应 31.0h， 生成 (3-Butoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
  参考文献：
  名称：

  Structure-activity relationship in PAF-acether. 3. Hydrophobic contribution to agonistic activity

  摘要：

  The synthesis of some selected PAF-acether homologues with an alkoxy-chain length from C1 to C20 in position 1 is described. All agonist activities are closely correlated among themselves and with the calculated fatty-chain hydrophobicity. After a discussion on recent published results and comparison with our data, we conclude that the ether oxide function is absolutely essential at the glycerol 1-position for potent agonist activity and that potency correlates well with hydrophobicity parameters. We indicate the importance of steric and configurational constraints.

  DOI：

  10.1021/jm00388a008
• 作为产物：
  描述：

  3-丁氧基丙烷-1,2-二醇 、 三苯基氯甲烷 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 1-Butoxy-3-trityloxy-propan-2-ol
  参考文献：
  名称：

  Structure-activity relationship in PAF-acether. 3. Hydrophobic contribution to agonistic activity

  摘要：

  The synthesis of some selected PAF-acether homologues with an alkoxy-chain length from C1 to C20 in position 1 is described. All agonist activities are closely correlated among themselves and with the calculated fatty-chain hydrophobicity. After a discussion on recent published results and comparison with our data, we conclude that the ether oxide function is absolutely essential at the glycerol 1-position for potent agonist activity and that potency correlates well with hydrophobicity parameters. We indicate the importance of steric and configurational constraints.

  DOI：

  10.1021/jm00388a008